SCHEMBL8940869

SCHEMBL8940869

COc1cc(Cl)cc(Cl)c1-c1c(Cl)cc(Cl)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TRPV4 Q9HBA0 1/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
AHR P35869 1/20 0.39
KDM4E B2RXH2 2/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
G6PD P11413 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MCL1 Q07820 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8940588 0.89 ERN1 (0.42) ERN1GAANPC1ALDH1A1TRPV4
SCHEMBL9563947 0.82 ALDH1A1 (0.52) ERN1GAANPC1ALDH1A1TRPV4
SCHEMBL10118361 0.80 MAPT (0.42) ERN1GAANPC1ALDH1A1TRPV4
SCHEMBL1505978 0.78 ERN1 (0.40) ERN1GAANPC1ALDH1A1TRPV4
SCHEMBL27760135 0.78 GAA (0.43) ERN1GAANPC1ALDH1A1TRPV4
SCHEMBL9332746 0.78 ERN1 (0.58) ERN1GAAALDH1A1MAPTKDM4E
SCHEMBL4401042 0.78 GAA (0.48) ERN1GAANPC1ALDH1A1TRPV4
SCHEMBL29768451 0.78 ERN1 (0.40) ERN1GAANPC1ALDH1A1TRPV4
Ammonia Solution, Strong SCHEMBL27985986 0.78 MAPT (0.41) ERN1GAANPC1ALDH1A1TRPV4
SCHEMBL13747962 0.77 GAA (0.39) ERN1GAANPC1ALDH1A1TRPV4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700384-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER (US) 1996-03-13 EP disclosed
WO-1994027966-A1 PROCESS FOR PREPARING AND RESOLVING 2-PHENYL-3-AMINOPIPERIDINE PFIZER INC. (US) 1994-12-08 WO disclosed